2-[2-(5-Methylfuran-2-yl)vinyl]-4,6-bis(trichloromethyl)-1,3,5-triazine

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Catalog Number

ACM156360768

Product Name

Structure

CAS

156360-76-8

Category

Heterocyclic Organic Compound

IUPAC Name

2-[(E)-2-(5-methylfuran-2-yl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine

Molecular Weight

421.9g/mol

Molecular Formula

C12H7Cl6N3O

Canonical SMILES

CC1=CC=C(O1)C=CC2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

InChI

InChI=1S/C12H7Cl6N3O/c1-6-2-3-7(22-6)4-5-8-19-9(11(13,14)15)21-10(20-8)12(16,17)18/h2-5H,1H3/b5-4+

InChI Key

XOPKKHCDIAYUSK-SNAWJCMRSA-N

Complexity

389

Covalently-Bonded Unit Count

Exact Mass

420.869078g/mol

Formal Charge

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

418.872028g/mol

Rotatable Bond Count

XLogP3

5.1

MSDS

COA

Spec Sheet

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